4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine

C23H28N4 — CID 91535562

IUPAC4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine
SMILESCC(N)CC(C)CC1CN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C23H28N4/c1-16(11-17(2)24)12-18-14-27(15-18)23-25-10-9-22(26-23)21-8-7-19-5-3-4-6-20(19)13-21/h3-10,13,16-18H,11-12,14-15,24H2,1-2H3
InChIKeyBXOJWBIIEHMRIV-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.50
Rot. Bonds6

About 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine

4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine (PubChem CID 91535562) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine
PubChem CID91535562
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine
SMILESCC(N)CC(C)CC1CN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C23H28N4/c1-16(11-17(2)24)12-18-14-27(15-18)23-25-10-9-22(26-23)21-8-7-19-5-3-4-6-20(19)13-21/h3-10,13,16-18H,11-12,14-15,24H2,1-2H3
InChIKeyBXOJWBIIEHMRIV-UHFFFAOYSA-N
XLogP4.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine?
The IUPAC name of 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine (CID 91535562) is 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine is CC(N)CC(C)CC1CN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine?
The InChIKey is BXOJWBIIEHMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-16(11-17(2)24)12-18-14-27(15-18)23-25-10-9-22(26-23)21-8-7-19-5-3-4-6-20(19)13-21/h3-10,13,16-18H,11-12,14-15,24H2,1-2H3.
What are the key properties of 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine?
4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine has a molecular weight of 360.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]pentan-2-amine is sourced from PubChem (CID 91535562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).